2-[(4-nitrophenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[(4-nitrophenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[(4-nitrophenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[(4-nitrophenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[(4-nitrophenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[(4-nitrophenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide Formula: C15H12N4O4S MolecularWeight: 344.34518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)NC(=N2)CS(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=CC(=C2C(=C1)NC(=N2)CS(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C15H12N4O4S/c16-15(20)11-2-1-3-12-14(11)18-13(17-12)8-24(23)10-6-4-9(5-7-10)19(21)22/h1-7H,8H2,(H2,16,20)(H,17,18)